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Target
Acetylcholinesterase
Ligand
BDBM50279524
Substrate
n/a
Meas. Tech.
ChEMBL_1721017 (CHEMBL4136017)
IC50
10000±n/a nM
Citation
 Klein-Júnior, LC; Cretton, S; Allard, PM; Genta-Jouve, G; Passos, CS; Salton, J; Bertelli, P; Pupier, M; Jeannerat, D; Heyden, YV; Gasper, AL; Wolfender, JL; Christen, P; Henriques, AT Targeted Isolation of Monoterpene Indole Alkaloids from Palicourea sessilis. J Nat Prod 80:3032-3037 (2017) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50279524
Synonyms:
CHEMBL4174584
Type:
Small organic molecule
Emp. Form.:
C19H19N2O
Mol. Mass.:
291.3664
SMILES:
[H][C@@]12Cc3[n+](ccc4c3[nH]c3ccccc43)[C@@]([H])(C1)OC[C@@H]2C=C |r|
Structure:
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